4-morpholin-4-yl-4-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]butanoic acid

Systemtic Name: 4-morpholin-4-yl-4-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]butanoic acid Openeye Name: 4-morpholino-4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]butanoic acid CAS Name: 4-(4-morpholinyl)-4-oxo-2-[[[2-(trifluoromethyl)phenyl]methylthio]methyl]butanoic acid IUPAC Name: 4-morpholin-4-yl-4-oxo-2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]butanoic acid Traditional Name: 4-keto-4-morpholino-2-[[[2-(trifluoromethyl)benzyl]thio]methyl]butyric acid Formula: C17H20F3NO4S MolecularWeight: 391.40521

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CC(CSCC2=CC=CC=C2C(F)(F)F)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CC(CSCC2=CC=CC=C2C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H20F3NO4S/c18-17(19,20)14-4-2-1-3-12(14)10-26-11-13(16(23)24)9-15(22)21-5-7-25-8-6-21/h1-4,13H,5-11H2,(H,23,24)